6-[[3-ethoxycarbonyl-1-(4-methylphenyl)-6-oxidanylidene-pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-ethoxycarbonyl-1-(4-methylphenyl)-6-oxidanylidene-pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-ethoxycarbonyl-6-oxo-1-(p-tolyl)pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-ethoxycarbonyl-1-(4-methylphenyl)-6-oxo-4-pyridazinyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-ethoxycarbonyl-1-(4-methylphenyl)-6-oxopyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-6-keto-1-(p-tolyl)pyridazin-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2CC=CCC2C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2CC=CCC2C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O6/c1-3-31-22(30)19-17(23-20(27)15-6-4-5-7-16(15)21(28)29)12-18(26)25(24-19)14-10-8-13(2)9-11-14/h4-5,8-12,15-16H,3,6-7H2,1-2H3,(H,23,27)(H,28,29)